(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H27N7O — CID 95888750

IUPAC(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C19H27N7O/c1-26-13-19(5-9-20-10-6-19)11-15(26)18(27)22-8-4-16-23-17(25-24-16)14-3-2-7-21-12-14/h2-3,7,12,15,20H,4-6,8-11,13H2,1H3,(H,22,27)(H,23,24,25)/t15-/m1/s1
InChIKeyNYPYBSQCISSBJO-OAHLLOKOSA-N
MW369.47 g/mol
LogP0.60
Rot. Bonds5

About (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95888750) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95888750
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C19H27N7O/c1-26-13-19(5-9-20-10-6-19)11-15(26)18(27)22-8-4-16-23-17(25-24-16)14-3-2-7-21-12-14/h2-3,7,12,15,20H,4-6,8-11,13H2,1H3,(H,22,27)(H,23,24,25)/t15-/m1/s1
InChIKeyNYPYBSQCISSBJO-OAHLLOKOSA-N
XLogP0.60
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95888750) is (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)C[C@@H]1C(=O)NCCc1nc(-c2cccnc2)n[nH]1.
What is the InChIKey of (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NYPYBSQCISSBJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N7O/c1-26-13-19(5-9-20-10-6-19)11-15(26)18(27)22-8-4-16-23-17(25-24-16)14-3-2-7-21-12-14/h2-3,7,12,15,20H,4-6,8-11,13H2,1H3,(H,22,27)(H,23,24,25)/t15-/m1/s1.
What are the key properties of (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95888750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).